The structure of potassium tetrahydrogen pentafluoride

Bernard A. Coyle; Leroy W. Schroeder; James A. Ibers

doi:10.1016/0022-4596(70)90120-9

The structure of potassium tetrahydrogen pentafluoride

Bernard A. Coyle^*, Leroy W. Schroeder, James A. Ibers

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Article › peer-review

33 Scopus citations

Abstract

The compound KF·4HF, prepared by the addition of anhydrous hydrofluoric acid to potassium fluoride, is shown, on the basis of an X-ray structure determination, to be potassium tetrahydrogen pentafluoride, K[H₄F₅]. The material crystallizes with four formula units in the tetragonal space group C_4h⁶-I4₁ a in a cell of dimensions a = 6.384(3), c = 13.227(7) Å. The conventional R factor for the 221 intensities observed above background is 6.2%. The structure is of the scheelite type, with the potassium and the central fluorine atoms residing at special positions of symmetry 4, and the other fluorine atoms hydrogen bonded to the central fluorine atom at an FH···F distance of 2.453(2) Å. The resultant H₄F₅^- ion, which is crystallographically required to possess 4 symmetry, exhibits a slight but significant distortion from tetrahedral geometry. The FH···F bond is approximately linear and is unsymmetric with the hydrogen closer to the peripheral fluorine. The fluorine atoms in the immediate environment of the potassium atom form a dodecahedron with triangular faces.

Original language	English (US)
Pages (from-to)	386-393
Number of pages	8
Journal	Journal of Solid State Chemistry
Volume	1
Issue number	3-4
DOIs	https://doi.org/10.1016/0022-4596(70)90120-9
State	Published - Apr 1970

Funding

A comparisono f the fluorine-fluorineh ydrogen- bondedd istancew ith thosei n otherH F compounds is given in Table VI. One may rationalizet he ob-Acknowledgments servedt rendb y assumingth ata st hee lectronso f the The preparationo f the crystal was carried out in Dr. H. H. fluorine atomsb ecomele ssa vailablef or hydrogen-Hyman’s laboratory at Argonne National Laboratory, bonding, then the F-H-*-F bond becomeslo nger. operated for the U.S. Atomic Energy Commission. It is a This is consistentw ith either an increasei n the pleasuret o acknowledget he cooperationa nd hospitality that coordinationn umbero r especiallyw ith a decrease Dr. Hyman provided. This work was supportedb y Advanced in formal negativec hargeo n the fluorine atoms. Research Projects Agency of the Department of Defense Despitet he fact that the presents tructurew as through the Northwestern University Materials Research derivedf rom X-ray data that were not collected Center. BAC acknowledgesa fellowship from the National undert hem ostd esirablec onditionst, herea res everal DefenseE ducation Act. lines of evidenceth at suggestth at thed etermination JAI wishes to acknowledget he deep personal loss engen- is a reliableo ne. Not only is the final value of R, deredb y the untimelyd eatho f A. D. Wadsley. of 0.062 fairly low but the atomic mean-square amplitudeso f vibration( TableV II) seemre asonable References enougha s do the directionso f thermalm otion,a nd these thermal parameterss hould be particularly sensitivet o residuale rrorsi n the data.T he periph- eral fluorineF (2) is the only atoms howinga ppreci- ablea nisotropicv ibrationa nd, as can be seenin the figures,t he axis of largestr oot-mean-squaraem pli- tude is roughly perpendiculart o the plane formed by its nearestF (1) and K neighbors.I n addition,

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Ceramics and Composites
Condensed Matter Physics
Physical and Theoretical Chemistry
Inorganic Chemistry
Materials Chemistry

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10.1016/0022-4596(70)90120-9

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@article{30ef480dd2094f6499c02ece19ced357,

title = "The structure of potassium tetrahydrogen pentafluoride",

abstract = "The compound KF·4HF, prepared by the addition of anhydrous hydrofluoric acid to potassium fluoride, is shown, on the basis of an X-ray structure determination, to be potassium tetrahydrogen pentafluoride, K[H4F5]. The material crystallizes with four formula units in the tetragonal space group C4h6-I41 a in a cell of dimensions a = 6.384(3), c = 13.227(7) {\AA}. The conventional R factor for the 221 intensities observed above background is 6.2%. The structure is of the scheelite type, with the potassium and the central fluorine atoms residing at special positions of symmetry 4, and the other fluorine atoms hydrogen bonded to the central fluorine atom at an FH···F distance of 2.453(2) {\AA}. The resultant H4F5- ion, which is crystallographically required to possess 4 symmetry, exhibits a slight but significant distortion from tetrahedral geometry. The FH···F bond is approximately linear and is unsymmetric with the hydrogen closer to the peripheral fluorine. The fluorine atoms in the immediate environment of the potassium atom form a dodecahedron with triangular faces.",

author = "Coyle, {Bernard A.} and Schroeder, {Leroy W.} and Ibers, {James A.}",

note = "Funding Information: A comparisono f the fluorine-fluorineh ydrogen- bondedd istancew ith thosei n otherH F compounds is given in Table VI. One may rationalizet he ob-Acknowledgments servedt rendb y assumingth ata st hee lectronso f the The preparationo f the crystal was carried out in Dr. H. H. fluorine atomsb ecomele ssa vailablef or hydrogen-Hyman{\textquoteright}s laboratory at Argonne National Laboratory, bonding, then the F-H-*-F bond becomeslo nger. operated for the U.S. Atomic Energy Commission. It is a This is consistentw ith either an increasei n the pleasuret o acknowledget he cooperationa nd hospitality that coordinationn umbero r especiallyw ith a decrease Dr. Hyman provided. This work was supportedb y Advanced in formal negativec hargeo n the fluorine atoms. Research Projects Agency of the Department of Defense Despitet he fact that the presents tructurew as through the Northwestern University Materials Research derivedf rom X-ray data that were not collected Center. BAC acknowledgesa fellowship from the National undert hem ostd esirablec onditionst, herea res everal DefenseE ducation Act. lines of evidenceth at suggestth at thed etermination JAI wishes to acknowledget he deep personal loss engen- is a reliableo ne. Not only is the final value of R, deredb y the untimelyd eatho f A. D. Wadsley. of 0.062 fairly low but the atomic mean-square amplitudeso f vibration( TableV II) seemre asonable References enougha s do the directionso f thermalm otion,a nd these thermal parameterss hould be particularly sensitivet o residuale rrorsi n the data.T he periph- eral fluorineF (2) is the only atoms howinga ppreci- ablea nisotropicv ibrationa nd, as can be seenin the figures,t he axis of largestr oot-mean-squaraem pli- tude is roughly perpendiculart o the plane formed by its nearestF (1) and K neighbors.I n addition, Copyright: Copyright 2014 Elsevier B.V., All rights reserved.",

year = "1970",

month = apr,

doi = "10.1016/0022-4596(70)90120-9",

language = "English (US)",

volume = "1",

pages = "386--393",

journal = "Journal of Solid State Chemistry",

issn = "0022-4596",

publisher = "Academic Press Inc.",

number = "3-4",

}

TY - JOUR

T1 - The structure of potassium tetrahydrogen pentafluoride

AU - Coyle, Bernard A.

AU - Schroeder, Leroy W.

AU - Ibers, James A.

N1 - Funding Information: A comparisono f the fluorine-fluorineh ydrogen- bondedd istancew ith thosei n otherH F compounds is given in Table VI. One may rationalizet he ob-Acknowledgments servedt rendb y assumingth ata st hee lectronso f the The preparationo f the crystal was carried out in Dr. H. H. fluorine atomsb ecomele ssa vailablef or hydrogen-Hyman’s laboratory at Argonne National Laboratory, bonding, then the F-H-*-F bond becomeslo nger. operated for the U.S. Atomic Energy Commission. It is a This is consistentw ith either an increasei n the pleasuret o acknowledget he cooperationa nd hospitality that coordinationn umbero r especiallyw ith a decrease Dr. Hyman provided. This work was supportedb y Advanced in formal negativec hargeo n the fluorine atoms. Research Projects Agency of the Department of Defense Despitet he fact that the presents tructurew as through the Northwestern University Materials Research derivedf rom X-ray data that were not collected Center. BAC acknowledgesa fellowship from the National undert hem ostd esirablec onditionst, herea res everal DefenseE ducation Act. lines of evidenceth at suggestth at thed etermination JAI wishes to acknowledget he deep personal loss engen- is a reliableo ne. Not only is the final value of R, deredb y the untimelyd eatho f A. D. Wadsley. of 0.062 fairly low but the atomic mean-square amplitudeso f vibration( TableV II) seemre asonable References enougha s do the directionso f thermalm otion,a nd these thermal parameterss hould be particularly sensitivet o residuale rrorsi n the data.T he periph- eral fluorineF (2) is the only atoms howinga ppreci- ablea nisotropicv ibrationa nd, as can be seenin the figures,t he axis of largestr oot-mean-squaraem pli- tude is roughly perpendiculart o the plane formed by its nearestF (1) and K neighbors.I n addition, Copyright: Copyright 2014 Elsevier B.V., All rights reserved.

PY - 1970/4

Y1 - 1970/4

N2 - The compound KF·4HF, prepared by the addition of anhydrous hydrofluoric acid to potassium fluoride, is shown, on the basis of an X-ray structure determination, to be potassium tetrahydrogen pentafluoride, K[H4F5]. The material crystallizes with four formula units in the tetragonal space group C4h6-I41 a in a cell of dimensions a = 6.384(3), c = 13.227(7) Å. The conventional R factor for the 221 intensities observed above background is 6.2%. The structure is of the scheelite type, with the potassium and the central fluorine atoms residing at special positions of symmetry 4, and the other fluorine atoms hydrogen bonded to the central fluorine atom at an FH···F distance of 2.453(2) Å. The resultant H4F5- ion, which is crystallographically required to possess 4 symmetry, exhibits a slight but significant distortion from tetrahedral geometry. The FH···F bond is approximately linear and is unsymmetric with the hydrogen closer to the peripheral fluorine. The fluorine atoms in the immediate environment of the potassium atom form a dodecahedron with triangular faces.

AB - The compound KF·4HF, prepared by the addition of anhydrous hydrofluoric acid to potassium fluoride, is shown, on the basis of an X-ray structure determination, to be potassium tetrahydrogen pentafluoride, K[H4F5]. The material crystallizes with four formula units in the tetragonal space group C4h6-I41 a in a cell of dimensions a = 6.384(3), c = 13.227(7) Å. The conventional R factor for the 221 intensities observed above background is 6.2%. The structure is of the scheelite type, with the potassium and the central fluorine atoms residing at special positions of symmetry 4, and the other fluorine atoms hydrogen bonded to the central fluorine atom at an FH···F distance of 2.453(2) Å. The resultant H4F5- ion, which is crystallographically required to possess 4 symmetry, exhibits a slight but significant distortion from tetrahedral geometry. The FH···F bond is approximately linear and is unsymmetric with the hydrogen closer to the peripheral fluorine. The fluorine atoms in the immediate environment of the potassium atom form a dodecahedron with triangular faces.

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JO - Journal of Solid State Chemistry

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IS - 3-4

ER -

The structure of potassium tetrahydrogen pentafluoride

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